A-395 10μM R05 exp218 [The Human Chemical-Genetic Interaction Map Project]

This page is read only. You can view the source, but not change it. Ask your administrator if you think this is wrong.
====== A-395 10μM R05 exp218 ======
==== Mechanism of Action ====
Inhibits EED subunit of PRC2 complex, blocks H3K27me3
  * **<color #00a2e8>Class / Subclass 1:</color>** Gene Regulation / Epigenetic Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%(3R,4S)-1-(7-Fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrrolidin-3-amine%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 2089148-72-9
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/123132213|123132213]]
    * **<color #00a2e8>IUPAC:</color>** %%(3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrrolidin-3-amine%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1
    * **<color #00a2e8>INCHI Key:</color>** REVJNSVNICWODC-KIDMSAQOSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 486.6
    * **<color #00a2e8>Canonical SMILES:</color>** CN(C)C1CN(CC1C2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C4CCC5=C4C(=CC=C5)F
    * **<color #00a2e8>Isomeric SMILES:</color>** CN(C)[C@H]1CN(C[C@@H]1C2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C)C4CCC5=C4C(=CC=C5)F
    * **<color #00a2e8>Molecular Formula:</color>** C26H35FN4O2S
{{:chemogenomics:structures:chem-0124.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Structural Genomics Consortium
    * **<color #00a2e8>Catalog #:</color>** N/A
    * **<color #00a2e8>Lot #:</color>** N/A
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C26H35FN4O2S 487.25375; found 487.25529
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** A395
    * **<color #00a2e8>Min:</color>** 1.7640; **<color #00a2e8>Max:</color>** 20.2623
{{:chemogenomics:dose_response:dr_65.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |N/A    |
| IC30  |N/A    |
| IC40  |N/A    |
| IC50  |N/A    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 05
    * **<color #00a2e8>Dose</color>**: 10µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.5
    * **<color #00a2e8>Numbers of reads</color>**: 16223252


==== Screen Results ====


^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^
|4/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/A-395_10uM_Round-5_exp218.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="primary" size="sm" modal="modal_screen_similarity">View</button>|<button type="default" size="sm" modal="modal_go_sensitive">View</button>|<button type="default" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='A-395 10μM R05 exp218'>
{{:chemogenomics:cranks_plots:exp218.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:D:DPAGT1|DPAGT1]]|-3.36|<0.01|
|[[:human_genes:F:FOXI1|FOXI1]]|-2.87|0.02|
|[[:human_genes:A:ATXN2|ATXN2]]|-2.79|0.05|
|[[:human_genes:A:ALG6|ALG6]]|-2.68|0.04|
|[[:human_genes:D:DNAJC3|DNAJC3]]|-2.55|0.06|
|[[:human_genes:B:BRD1|BRD1]]|-2.51|0.06|
|[[:human_genes:G:GMPPB|GMPPB]]|-2.48|0.43|
|[[:human_genes:R:RPE|RPE]]|-2.45|0.17|
|[[:human_genes:N:NQO1|NQO1]]|-2.21|0.43|
|[[:human_genes:D:DTYMK|DTYMK]]|-2.19|0.43|
|[[:human_genes:C:CREB3L2|CREB3L2]]|-2.15|0.37|
|[[:human_genes:R:RBMX2|RBMX2]]|-2.12|0.43|
|[[:human_genes:A:ATP8B2|ATP8B2]]|-2.10|0.60|
|[[:human_genes:S:SNRPG|SNRPG]]|-2.09|0.72|
|[[:human_genes:R:RPP25|RPP25]]|-2.06|0.47|
|[[:human_genes:M:MCM9|MCM9]]|-2.05|0.47|
|[[:human_genes:C:CTC1|CTC1]]|-2.05|0.47|
|[[:human_genes:R:RAB7A|RAB7A]]|-2.03|0.43|
|[[:human_genes:S:SUV39H1|SUV39H1]]|-2.03|0.43|
|[[:human_genes:T:TCF4|TCF4]]|-2.02|0.43|
|[[:human_genes:N:NEK8|NEK8]]|-2.01|0.43|
|[[:human_genes:C:CCT6A|CCT6A]]|-2.00|0.70|
|[[:human_genes:U:URGCP|URGCP]]|-1.98|0.54|
|[[:human_genes:S:SLC25A44|SLC25A44]]|-1.96|0.47|
|[[:human_genes:C:CCNB3|CCNB3]]|-1.96|0.55|
|[[:human_genes:S:SLC2A4RG|SLC2A4RG]]|-1.94|0.47|
|[[:human_genes:T:TMA16|TMA16]]|-1.89|0.54|
|[[:human_genes:P:PSORS1C1|PSORS1C1]]|-1.89|0.54|
|[[:human_genes:P:PDGFD|PDGFD]]|-1.88|0.54|
|[[:human_genes:C:C5orf22|C5orf22]]|-1.87|0.54|
|[[:human_genes:D:DEPDC5|DEPDC5]]|1.94|0.57|
|[[:human_genes:N:NKTR|NKTR]]|1.94|0.59|
|[[:human_genes:M:MAP3K7|MAP3K7]]|1.96|0.57|
|[[:human_genes:P:PRPF19|PRPF19]]|1.97|0.62|
|[[:human_genes:G:GCGR|GCGR]]|1.99|0.57|
|[[:human_genes:N:NUP54|NUP54]]|1.99|0.57|
|[[:human_genes:S:SOCS7|SOCS7]]|2.00|0.57|
|[[:human_genes:N:NPIPA3|NPIPA3]]|2.01|0.59|
|[[:human_genes:M:MDH1|MDH1]]|2.02|0.57|
|[[:human_genes:R:RPS28|RPS28]]|2.02|0.70|
|[[:human_genes:D:DSG2|DSG2]]|2.02|0.57|
|[[:human_genes:N:NPIPA2|NPIPA2]]|2.04|0.59|
|[[:human_genes:K:KANSL2|KANSL2]]|2.05|0.57|
|[[:human_genes:E:EIF3D|EIF3D]]|2.05|0.57|
|[[:human_genes:R:RIMS2|RIMS2]]|2.07|0.57|
|[[:human_genes:C:CHEK2|CHEK2]]|2.08|0.57|
|[[:human_genes:M:MYSM1|MYSM1]]|2.09|0.57|
|[[:human_genes:B:BOLL|BOLL]]|2.11|0.57|
|[[:human_genes:M:MCL1|MCL1]]|2.12|0.57|
|[[:human_genes:C:CDC45|CDC45]]|2.12|0.59|
|[[:human_genes:N:NANS|NANS]]|2.12|0.57|
|[[:human_genes:S:SNRNP70|SNRNP70]]|2.16|0.59|
|[[:human_genes:K:KTN1|KTN1]]|2.20|0.57|
|[[:human_genes:L:LOC100505679|LOC100505679]]|2.27|0.70|
|[[:human_genes:C:CFAP45|CFAP45]]|2.28|0.59|
|[[:human_genes:H:HMGCR|HMGCR]]|2.29|0.59|
|[[:human_genes:X:XRCC4|XRCC4]]|2.31|0.41|
|[[:human_genes:K:KLHL23|KLHL23]]|2.41|0.34|
|[[:human_genes:C:CA5A|CA5A]]|2.54|0.31|
|[[:human_genes:P:PSMC3|PSMC3]]|2.66|0.57|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp344|Chlorpromazine 10μM R07 exp344]]|0.053|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp483|FTY720 3μM R08 exp483]]|0.052|<button type="primary" size="small" modal="2">View</button>|
</modal>


<modal id="1" size="lg" title="A-395 10μM R05 exp218  vs  Chlorpromazine 10μM R07 exp344">
{{:chemogenomics:comparison_plots:exp218_vs_exp344.png?nolink |}}
</modal>

<modal id="2" size="lg" title="A-395 10μM R05 exp218  vs  FTY720 3μM R08 exp483">
{{:chemogenomics:comparison_plots:exp218_vs_exp483.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">No GO term hits below threshold. (FDR <0.05)</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal>